Nucleation site of Cu on the H-terminated Si(111) surface - art. no. 115406

Citation
K. Tatsumura et al., Nucleation site of Cu on the H-terminated Si(111) surface - art. no. 115406, PHYS REV B, 6411(11), 2001, pp. 5406
Citations number
35
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
0163-1829 → ACNP
Volume
6411
Issue
11
Year of publication
2001
Database
ISI
SICI code
0163-1829(20010915)6411:11<5406:NSOCOT>2.0.ZU;2-8
Abstract
First-principles quantum chemical calculations have been performed to clari fy the nucleation site of Cu on the H-terminated Si(111) surface. The adhes ion energies of a Cu atom on various sites have been obtained accurately. W e have examined the following surface species as candidates for the Cu nucl eation site: Si dihydride and monohydride species, fluoride, chloride, and hydroxide species, and locally oxidized sites. The basis set for Cu, which is one of the transition metals, has been chosen suitably. Results of our c alculation indicate that (1) a Cu atom migrates freely on the H-terminated Si(111) surface, (2) it adheres selectively on the OH-terminated site, whic h is considered to exist mainly at a kink site and at the intersection of s tep edges, and (3) the Cu atom adhering on the OH-terminated site easily gr ows to a cluster.